(3S)-5-isoquinolin-1-yloxy-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-isoquinolin-1-yloxy-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(1-isoquinolyloxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-(1-isoquinolinyloxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-isoquinolin-1-yloxy-3-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-(1-isoquinolyloxy)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]valeric acid Formula: C31H31N3O7 MolecularWeight: 557.59374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=NC=CC2=CC=CC=C21)NC(=O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=NC=CC2=CC=CC=C21)NC(=O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C31H31N3O7/c1-19(2)29(34-27(36)18-40-26-13-7-10-20-8-3-5-11-22(20)26)30(39)33-24(16-28(37)38)25(35)17-41-31-23-12-6-4-9-21(23)14-15-32-31/h3-15,19,24,29H,16-18H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t24-,29-/m0/s1